5-[2-[[1-(cyclopropylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pyridin-4-yl]oxyindole-1-carboxylic acid

Systemtic Name: 5-[2-[[1-(cyclopropylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pyridin-4-yl]oxyindole-1-carboxylic acid Openeye Name: 5-[[2-[[2-(cyclopropylamino)-1-(hydroxymethyl)-2-oxo-ethyl]carbamoylamino]-4-pyridyl]oxy]indole-1-carboxylic acid CAS Name: 5-[[2-[[[[1-(cyclopropylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]amino]-4-pyridinyl]oxy]-1-indolecarboxylic acid IUPAC Name: 5-[2-[[1-(cyclopropylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]pyridin-4-yl]oxyindole-1-carboxylic acid Traditional Name: 5-[[2-[[2-(cyclopropylamino)-2-keto-1-methylol-ethyl]carbamoylamino]-4-pyridyl]oxy]indole-1-carboxylic acid Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(CO)NC(=O)NC2=NC=CC(=C2)OC3=CC4=C(C=C3)N(C=C4)C(=O)O

Isomeric SMILES

C1CC1NC(=O)C(CO)NC(=O)NC2=NC=CC(=C2)OC3=CC4=C(C=C3)N(C=C4)C(=O)O

InChI

InChI=1S/C21H21N5O6/c27-11-16(19(28)23-13-1-2-13)24-20(29)25-18-10-15(5-7-22-18)32-14-3-4-17-12(9-14)6-8-26(17)21(30)31/h3-10,13,16,27H,1-2,11H2,(H,23,28)(H,30,31)(H2,22,24,25,29)